3-phenyl-4-pyridin-3-ylpiperidine-2,6-dione

C16H14N2O2 — CID 79321168

IUPAC3-phenyl-4-pyridin-3-ylpiperidine-2,6-dione
SMILESO=C1CC(c2cccnc2)C(c2ccccc2)C(=O)N1
InChIInChI=1S/C16H14N2O2/c19-14-9-13(12-7-4-8-17-10-12)15(16(20)18-14)11-5-2-1-3-6-11/h1-8,10,13,15H,9H2,(H,18,19,20)
InChIKeyOXXBLPVJTJNWAL-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.00
Rot. Bonds2

About 3-phenyl-4-pyridin-3-ylpiperidine-2,6-dione

3-phenyl-4-pyridin-3-ylpiperidine-2,6-dione (PubChem CID 79321168) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-phenyl-4-pyridin-3-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-phenyl-4-pyridin-3-ylpiperidine-2,6-dione
PubChem CID79321168
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-phenyl-4-pyridin-3-ylpiperidine-2,6-dione
SMILESO=C1CC(c2cccnc2)C(c2ccccc2)C(=O)N1
InChIInChI=1S/C16H14N2O2/c19-14-9-13(12-7-4-8-17-10-12)15(16(20)18-14)11-5-2-1-3-6-11/h1-8,10,13,15H,9H2,(H,18,19,20)
InChIKeyOXXBLPVJTJNWAL-UHFFFAOYSA-N
XLogP2.00
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-pyridin-3-ylpiperidine-2,6-dione?
The IUPAC name of 3-phenyl-4-pyridin-3-ylpiperidine-2,6-dione (CID 79321168) is 3-phenyl-4-pyridin-3-ylpiperidine-2,6-dione.
What is the SMILES notation for 3-phenyl-4-pyridin-3-ylpiperidine-2,6-dione?
The canonical SMILES for 3-phenyl-4-pyridin-3-ylpiperidine-2,6-dione is O=C1CC(c2cccnc2)C(c2ccccc2)C(=O)N1.
What is the InChIKey of 3-phenyl-4-pyridin-3-ylpiperidine-2,6-dione?
The InChIKey is OXXBLPVJTJNWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-14-9-13(12-7-4-8-17-10-12)15(16(20)18-14)11-5-2-1-3-6-11/h1-8,10,13,15H,9H2,(H,18,19,20).
What are the key properties of 3-phenyl-4-pyridin-3-ylpiperidine-2,6-dione?
3-phenyl-4-pyridin-3-ylpiperidine-2,6-dione has a molecular weight of 266.30 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-pyridin-3-ylpiperidine-2,6-dione is sourced from PubChem (CID 79321168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).